Mrv1652309092222172D 14 13 0 0 1 0 999 V2000 3.3000 1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8250 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > NP0289892 > NP-MRD > N[C@@H](CN=C(O)\C=C\C(O)=N)C(O)=O > InChI=1S/C7H11N3O4/c8-4(7(13)14)3-10-6(12)2-1-5(9)11/h1-2,4H,3,8H2,(H2,9,11)(H,10,12)(H,13,14)/b2-1+/t4-/m0/s1 > TXNRYTCUNXUNFH-QPHDTYRISA-N > C7H11N3O4 > 201.182 > 201.074955846 > 7 > 25 > 18.962907310724603 > 1 > 5 > 0 > 0 > (2S)-2-amino-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propanoic acid > -5.990178146840478 > 0 > 0 > 0 > 1.4171332316819671 > 0.04417466399588221 > 12.344273916355496 > 139.99 > 58.3861 > 5 > 1 > (2S)-2-amino-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propanoic acid > 0 > NP0289892 > (2s)-2-amino-3-{[(2e)-1-hydroxy-3-(c-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propanoic acid $$$$